4-benzamido-N-[1-(4-methoxyphenyl)ethylideneamino]benzamide

C23H21N3O3 — CID 3289478

IUPAC4-benzamido-N-[1-(4-methoxyphenyl)ethylideneamino]benzamide
SMILESCOc1ccc(C(C)=NNC(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc1
InChIInChI=1S/C23H21N3O3/c1-16(17-10-14-21(29-2)15-11-17)25-26-23(28)19-8-12-20(13-9-19)24-22(27)18-6-4-3-5-7-18/h3-15H,1-2H3,(H,24,27)(H,26,28)
InChIKeyKNAINBVBRBOEHG-UHFFFAOYSA-N
MW387.44 g/mol
LogP4.10
Rot. Bonds6

About 4-benzamido-N-[1-(4-methoxyphenyl)ethylideneamino]benzamide

4-benzamido-N-[1-(4-methoxyphenyl)ethylideneamino]benzamide (PubChem CID 3289478) has the molecular formula C23H21N3O3 and a molecular weight of 387.44 g/mol. Its IUPAC name is 4-benzamido-N-[1-(4-methoxyphenyl)ethylideneamino]benzamide.

Molecular Properties

Compound Name4-benzamido-N-[1-(4-methoxyphenyl)ethylideneamino]benzamide
PubChem CID3289478
Molecular FormulaC23H21N3O3
Molecular Weight387.44 g/mol
Exact Mass387.16
IUPAC Name4-benzamido-N-[1-(4-methoxyphenyl)ethylideneamino]benzamide
SMILESCOc1ccc(C(C)=NNC(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc1
InChIInChI=1S/C23H21N3O3/c1-16(17-10-14-21(29-2)15-11-17)25-26-23(28)19-8-12-20(13-9-19)24-22(27)18-6-4-3-5-7-18/h3-15H,1-2H3,(H,24,27)(H,26,28)
InChIKeyKNAINBVBRBOEHG-UHFFFAOYSA-N
XLogP4.10
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[(4-chlorobenzoyl)amino]-N-[1-(4-methoxyphenyl)ethylideneamino]benzamide
CID 4633062
N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-4-phenylbenzamide
CID 5496134
4-benzamido-N-[(Z)-1-(4-bromophenyl)ethylideneamino]benzamide
CID 6272222
N-[(Z)-1-[4-(2-anilino-2-oxoethoxy)phenyl]ethylideneamino]-4-methoxybenzamide
CID 9359242
N-[4-[[(4-methoxybenzoyl)amino]carbamoyl]phenyl]benzamide
CID 1246678
N-[4-[(Z)-N-(benzenesulfonamido)-C-methylcarbonimidoyl]phenyl]-4-methoxybenzamide
CID 6381588
N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethylideneamino]-4-methoxybenzamide
CID 3473892
N-[(Z)-1-(4-phenoxyphenyl)ethylideneamino]benzamide
CID 5418111
N-[(Z)-1-phenylethylideneamino]-4-propan-2-yloxybenzamide
CID 9215513
N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]naphthalene-2-carboxamide
CID 124908769
4-benzamido-N-[1-(4-nitrophenyl)ethylideneamino]benzamide
CID 3289474
4-bromo-N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]benzamide
CID 6062256

Frequently Asked Questions

What is the IUPAC name of 4-benzamido-N-[1-(4-methoxyphenyl)ethylideneamino]benzamide?
The IUPAC name of 4-benzamido-N-[1-(4-methoxyphenyl)ethylideneamino]benzamide (CID 3289478) is 4-benzamido-N-[1-(4-methoxyphenyl)ethylideneamino]benzamide.
What is the SMILES notation for 4-benzamido-N-[1-(4-methoxyphenyl)ethylideneamino]benzamide?
The canonical SMILES for 4-benzamido-N-[1-(4-methoxyphenyl)ethylideneamino]benzamide is COc1ccc(C(C)=NNC(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc1.
What is the InChIKey of 4-benzamido-N-[1-(4-methoxyphenyl)ethylideneamino]benzamide?
The InChIKey is KNAINBVBRBOEHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O3/c1-16(17-10-14-21(29-2)15-11-17)25-26-23(28)19-8-12-20(13-9-19)24-22(27)18-6-4-3-5-7-18/h3-15H,1-2H3,(H,24,27)(H,26,28).
What are the key properties of 4-benzamido-N-[1-(4-methoxyphenyl)ethylideneamino]benzamide?
4-benzamido-N-[1-(4-methoxyphenyl)ethylideneamino]benzamide has a molecular weight of 387.44 g/mol, XLogP of 4.10, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzamido-N-[1-(4-methoxyphenyl)ethylideneamino]benzamide is sourced from PubChem (CID 3289478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).